D457-0689 Screening compound: N-[2-(2-thienyl)ethyl]-N-[1,2,4]triazolo[3,4-a]phthalazin-6-ylamine

D457-0689 Screening compound: N-[2-(2-thienyl)ethyl]-N-[1,2,4]triazolo[3,4-a]phthalazin-6-ylamine
D457-0689 Screening compound: N-[2-(2-thienyl)ethyl]-N-[1,2,4]triazolo[3,4-a]phthalazin-6-ylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D457-0689
N-[2-(2-thienyl)ethyl]-N-[1,2,4]triazolo[3,4-a]phthalazin-6-ylamine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D457-0689

Molecular Formula

C15H13N5S (C15 H13 N5 S)

Compound Name

N-[2-(2-thienyl)ethyl]-N-[1,2,4]triazolo[3,4-a]phthalazin-6-ylamine

IUPAC name

n/a

SMILES

C(CNc(c1c2cccc1)nn1c2nnc1)c1cccs1

InChI

InChI=1S/C15H13N5S/c1-2-6-13-12(5-1)14(19-20-10-17-18-15(13)20)16-8-7-11-4-3-9-21-11/h1-6,9-10H,7-8H2,(H,16,19)

InChI Key

ZAJBAVDJHBYETQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12919544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.568

Distribution Coefficient, logD

2.568

Water Solubility, LogSw

-2.66

Polar Surface Area

45.329

Acid Dissociation Constant (pKa)

19.70

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

D457-0689 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D457-0689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D457-0689?
Check Price and Availability of D457-0689, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D457-0689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D457-0689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D457-0689
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D457-0689 available by request